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Infrared spectrum, NBO, HOMO-LUMO, MEP and molecular docking studies

C Yohannan Panicker1, Hema Tresa Varghese2, Prakash S Nayak3

  • 1Department of Physics, TKM College of Arts and Science, Kollam, Kerala, India.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|April 13, 2015
PubMed

Keywords:
DFTFT-IRHyperpolarizabilityMolecular dockingPiperidine

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